2-[4-azanylbutyl-[2-(2-methoxyphenyl)ethyl]amino]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-azanylbutyl-[2-(2-methoxyphenyl)ethyl]amino]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-aminobutyl-[2-(2-methoxyphenyl)ethyl]amino]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[4-aminobutyl-[2-(2-methoxyphenyl)ethyl]amino]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[4-aminobutyl-[2-(2-methoxyphenyl)ethyl]amino]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-aminobutyl-[2-(2-methoxyphenyl)ethyl]amino]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCN(CCCCN)C2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC=C1CCN(CCCCN)C2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O2/c1-29-20-7-3-2-6-18(20)10-15-27(14-5-4-11-23)22-25-19(16-21(28)26-22)17-8-12-24-13-9-17/h2-3,6-9,12-13,16H,4-5,10-11,14-15,23H2,1H3,(H,25,26,28)